1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane

C14H22F4 — CID 71119881

IUPAC1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(F)F)C(F)C2)C(F)C1
InChIInChI=1S/C14H22F4/c1-8-2-4-10(12(15)6-8)9-3-5-11(14(17)18)13(16)7-9/h8-14H,2-7H2,1H3
InChIKeySSJMQVVAFFAJLE-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.78
Rot. Bonds2

About 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane

1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane (PubChem CID 71119881) has the molecular formula C14H22F4 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane
PubChem CID71119881
Molecular FormulaC14H22F4
Molecular Weight266.32 g/mol
Exact Mass266.17
IUPAC Name1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C(F)F)C(F)C2)C(F)C1
InChIInChI=1S/C14H22F4/c1-8-2-4-10(12(15)6-8)9-3-5-11(14(17)18)13(16)7-9/h8-14H,2-7H2,1H3
InChIKeySSJMQVVAFFAJLE-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
CID 70887654
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
CID 67890085
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
CID 142988213
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)cyclohexyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 89094542
5-(2-fluoro-4-methylcyclohexyl)-1,3-diazinane-2-carbonitrile
CID 142184944
2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142971586
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane (CID 71119881) is 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C(F)F)C(F)C2)C(F)C1.
What is the InChIKey of 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane?
The InChIKey is SSJMQVVAFFAJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4/c1-8-2-4-10(12(15)6-8)9-3-5-11(14(17)18)13(16)7-9/h8-14H,2-7H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane?
1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane has a molecular weight of 266.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 71119881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).